| SpectraBase Spectrum ID |
63uBoWZGmGB |
| Name |
Terephthalic acid, 3-hexyl octadecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
502.402210215 u |
| Formula |
C32H54O4 |
| InChI |
InChI=1S/C32H54O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-27-35-31(33)28-23-25-29(26-24-28)32(34)36-30(6-3)22-5-2/h23-26,30H,4-22,27H2,1-3H3 |
| InChIKey |
PHCYQVZCNYJARS-UHFFFAOYSA-N |
| Molecular Weight |
502.780 g/mol |
| SMILES |
C1=CC(=CC=C1C(OCCCCCCCCCCCCCCCCCC)=O)C(OC(CCC)CC)=O |
